CHEBI:62023 - 3-(progesterone-7α-yl)thiopropionic acid

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ChEBI Name 3-(progesterone-7α-yl)thiopropionic acid
ChEBI ID CHEBI:62023
ChEBI ASCII Name 3-(progesterone-7alpha-yl)thiopropionic acid
Definition A steroid acid consisting of progesterone having a 2-carboxyethylthio group at the 7α-position.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C24H34O4S
Net Charge 0
Average Mass 418.58900
Monoisotopic Mass 418.21778
InChI InChI=1S/C24H34O4S/c1-14(25)17-4-5-18-22-19(7-10-24(17,18)3)23(2)9-6-16(26)12-15(23)13-20(22)29-11-8-21(27)28/h12,17-20,22H,4-11,13H2,1-3H3,(H,27,28)/t17-,18+,19+,20-,22+,23+,24-/m1/s1
InChIKey BOJZZBMFGDYFER-WTBIUSKOSA-N
SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)SCCC(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-(progesterone-7α-yl)thiopropionic acid (CHEBI:62023) has functional parent progesterone (CHEBI:17026)
3-(progesterone-7α-yl)thiopropionic acid (CHEBI:62023) is a 20-oxo steroid (CHEBI:36885)
3-(progesterone-7α-yl)thiopropionic acid (CHEBI:62023) is a 3-oxo-Δ4 steroid (CHEBI:47909)
3-(progesterone-7α-yl)thiopropionic acid (CHEBI:62023) is a monocarboxylic acid (CHEBI:25384)
3-(progesterone-7α-yl)thiopropionic acid (CHEBI:62023) is a steroid acid (CHEBI:47891)
3-(progesterone-7α-yl)thiopropionic acid (CHEBI:62023) is a steroid sulfide (CHEBI:62027)
IUPAC Name
3-{[(7α)-3,20-dioxopregn-4-en-7-yl]sulfanyl}propanoic acid
Synonyms Sources
3-(pregn-4-ene-3,20-dione-7α-yl)thiopropanoic acid ChEBI
7-(Carboxyethylthio)progesterone ChemIDplus
7α-(carboxyethylthio)-P4 ChEBI
7α-(carboxyethylthio)progesterone ChEBI
7α-CET-P4 ChEBI
P4-7α-CET ChEBI
Registry Numbers Types Sources
40845-01-0 CAS Registry Number ChemIDplus
7357523 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11996928 PubMed citation Europe PMC
18791859 PubMed citation Europe PMC
4675794 PubMed citation Europe PMC
Last Modified
05 December 2013